Crystallography Open Database

Information card for entry 4511271

Preview

Coordinates	4511271.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33.25 H40.5 Ag2 Cl0.5 F12 N10 O0.25 P2
Calculated formula	C33.25 H40.5 Ag2 Cl0.5 F12 N10 O0.25 P2
Title of publication	Metal Supramolecular Frameworks with Silver and Ditopic Bis(pyrazolyl)methane Ligands: Effect of the Anions and Ligand Substitution
Authors of publication	Durá, Gema; Carrión, M. Carmen; Jalón, Félix A.; Rodríguez, Ana M.; Manzano, Blanca R.
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	7
Pages of publication	3510
a	14.516 ± 0.001 Å
b	14.916 ± 0.0011 Å
c	23.296 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	5044.1 ± 0.6 Å³
Cell temperature	230 ± 2 K
Ambient diffraction temperature	230 ± 2 K
Number of distinct elements	8
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1509
Residual factor for significantly intense reflections	0.0819
Weighted residual factors for significantly intense reflections	0.2013
Weighted residual factors for all reflections included in the refinement	0.2482
Goodness-of-fit parameter for all reflections included in the refinement	0.959
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4511271.cif
119049	2014-07-05	cif/ Updating files of 4511266, 4511267, 4511268, 4511269, 4511270, 4511271, 4511272, 4511273, 4511274 Original log message: Adding full bibliography for 4511266--4511274.cif.	4511271.cif
115953	2014-06-06	cif/ Adding structures of 4511266, 4511267, 4511268, 4511269, 4511270, 4511271, 4511272, 4511273, 4511274 via cif-deposit CGI script.	4511271.cif